SCHEMBL12539265

SCHEMBL12539265

CCC(C)OC(=O)C(Br)(CC(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
MAPT P10636 2/20 0.34
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
FPR2 P25090 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15738047 0.86 MAPT (0.36) MAPT
SCHEMBL3344614 0.78 MAPT (0.37) MAPT
SCHEMBL12539315 0.78 MAPT (0.31) MAPT
SCHEMBL2474898 0.77 GRM2 (0.41) MMP8MAPTGRM2GRM3FPR2
SCHEMBL3353497 0.77 MAPT (0.36) MAPT
SCHEMBL31567504 0.75 MAPT (0.37) MAPT
SCHEMBL17878559 0.74 MMP8 (0.40) MMP8MAPT
SCHEMBL15802703 0.74 MAPT (0.36) MMP8MAPT
SCHEMBL13278786 0.72 MMP8 (0.33) MMP8MAPT
SCHEMBL543811 0.72 MAPT (0.35) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9090628-B2 Benzoxazepin compounds selective for PI3K P110 delta and methods of use GENENTECH, INC. (US) 2015-07-28 US disclosed
EP-2688891-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
WO-2012126901-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (US) 2012-09-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE PIK3CA, PIK3CD, PIK3R4 MMP8 2357/4885MAPT 2831/4885GRM2 1919/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.